ChemSpider 2D Image | (5beta)-14-Hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-3-yl acetate | C19H21NO5

(5β)-14-Hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-3-yl acetate

  • Molecular FormulaC19H21NO5
  • Average mass343.374 Da
  • Monoisotopic mass343.141968 Da
  • ChemSpider ID95495425

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5β)-14-Hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-3-yl acetate [ACD/IUPAC Name]
(5β)-14-Hydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5β)-14-hydroxy-17-méthyl-6-oxo-4,5-époxymorphinane-3-yle [French] [ACD/IUPAC Name]
Morphinan-6-one, 3-(acetyloxy)-4,5-epoxy-14-hydroxy-17-methyl-, (5β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 533.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.4±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.07
ACD/KOC (pH 7.4): 44.87
Polar Surface Area: 76 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 238.5±5.0 cm3

Click to predict properties on the Chemicalize site


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